1-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]piperidin-3-amine

C15H18N4O2 — CID 56771507

IUPAC1-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]piperidin-3-amine
SMILESNC1CCCN(c2cc(-c3ccc4c(c3)OCO4)[nH]n2)C1
InChIInChI=1S/C15H18N4O2/c16-11-2-1-5-19(8-11)15-7-12(17-18-15)10-3-4-13-14(6-10)21-9-20-13/h3-4,6-7,11H,1-2,5,8-9,16H2,(H,17,18)
InChIKeyRFLAYADMQYVPLM-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.73
Rot. Bonds2

About 1-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]piperidin-3-amine

1-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]piperidin-3-amine (PubChem CID 56771507) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]piperidin-3-amine.

Molecular Properties

Compound Name1-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]piperidin-3-amine
PubChem CID56771507
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name1-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]piperidin-3-amine
SMILESNC1CCCN(c2cc(-c3ccc4c(c3)OCO4)[nH]n2)C1
InChIInChI=1S/C15H18N4O2/c16-11-2-1-5-19(8-11)15-7-12(17-18-15)10-3-4-13-14(6-10)21-9-20-13/h3-4,6-7,11H,1-2,5,8-9,16H2,(H,17,18)
InChIKeyRFLAYADMQYVPLM-UHFFFAOYSA-N
XLogP1.73
TPSA76.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]piperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(3-bromo-4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-amine
CID 114697836
1-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]piperazine
CID 56771406
(3S)-1-(1,3-benzodioxol-5-yl)piperidin-3-amine
CID 82038534
1-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-amine
CID 56771509
N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 99741002
1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-amine
CID 56771527
1-[5-(1-benzofuran-2-yl)-1H-pyrazol-3-yl]piperidin-3-amine
CID 114697842
1-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-amine
CID 56771532
1-[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-amine
CID 114697799
1-[5-(4-bromo-2-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-amine
CID 114697789
5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine
CID 19616634
N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 99741271

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]piperidin-3-amine?
The IUPAC name of 1-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]piperidin-3-amine (CID 56771507) is 1-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]piperidin-3-amine.
What is the SMILES notation for 1-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]piperidin-3-amine?
The canonical SMILES for 1-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]piperidin-3-amine is NC1CCCN(c2cc(-c3ccc4c(c3)OCO4)[nH]n2)C1.
What is the InChIKey of 1-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]piperidin-3-amine?
The InChIKey is RFLAYADMQYVPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c16-11-2-1-5-19(8-11)15-7-12(17-18-15)10-3-4-13-14(6-10)21-9-20-13/h3-4,6-7,11H,1-2,5,8-9,16H2,(H,17,18).
What are the key properties of 1-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]piperidin-3-amine?
1-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]piperidin-3-amine has a molecular weight of 286.34 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]piperidin-3-amine is sourced from PubChem (CID 56771507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).